[5-bromanyl-2-[(2-chlorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [5-bromanyl-2-[(2-chlorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [5-bromo-2-(2-chlorobenzyl)oxy-benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C20H22BrClN3O+ MolecularWeight: 435.76518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)C[NH2+]CCCN3C=CN=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)C[NH2+]CCCN3C=CN=C3)Cl

InChI

InChI=1S/C20H21BrClN3O/c21-18-6-7-20(26-14-16-4-1-2-5-19(16)22)17(12-18)13-23-8-3-10-25-11-9-24-15-25/h1-2,4-7,9,11-12,15,23H,3,8,10,13-14H2/p+1